Methylsulfinylmethyl 2-acetoxybenzoate
TL;DR: Methylsulfinylmethyl 2-acetoxybenzoate (CAS 76432-33-2) is a chemical compound with molecular formula C11H12O5S and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfinylmethyl 2-acetyloxybenzoate
Also Known As: MSMAB, Methylsulfinylmethyl 2-acetoxybenzoate, KST-1A8323, methylsulfinylmethyl2-acetoxybenzoate, (methylsulfinyl)methyl 2-(acetyloxy)benzoate
| Molecular Formula | C11H12O5S |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.04056 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 76432-33-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OCS(=O)C |
| InChIKey | ZUYDNEVBJGMSGH-UHFFFAOYSA-N |
Product Overview
Methylsulfinylmethyl 2-acetoxybenzoate (CAS 76432-33-2), with molecular formula C11H12O5S and molecular weight 256.04 g/mol. IUPAC: methylsulfinylmethyl 2-acetyloxybenzoate.
Chemical Property Profile of Methylsulfinylmethyl 2-acetoxybenzoate
Property Insights of Methylsulfinylmethyl 2-acetoxybenzoate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylsulfinylmethyl 2-acetoxybenzoate. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylsulfinylmethyl 2-acetoxybenzoate. Following Lipinski's Rule of Five, Methylsulfinylmethyl 2-acetoxybenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylsulfinylmethyl 2-acetoxybenzoate?
The CAS number of Methylsulfinylmethyl 2-acetoxybenzoate is 76432-33-2.
What is the molecular formula of Methylsulfinylmethyl 2-acetoxybenzoate?
The molecular formula of Methylsulfinylmethyl 2-acetoxybenzoate is C11H12O5S.
What is the molecular weight of Methylsulfinylmethyl 2-acetoxybenzoate?
The molecular weight of Methylsulfinylmethyl 2-acetoxybenzoate is 256.04 g/mol.
Where can I buy Methylsulfinylmethyl 2-acetoxybenzoate?
You can request a quote for Methylsulfinylmethyl 2-acetoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylsulfinylmethyl 2-acetoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methylsulfinylmethyl 2-acetoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.